N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C15H13BrN4O — CID 115937864

IUPACN-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccc(Br)n2)n1
InChIInChI=1S/C15H13BrN4O/c1-10-18-15(21-20-10)12-6-2-3-7-13(12)17-9-11-5-4-8-14(16)19-11/h2-8,17H,9H2,1H3
InChIKeyAMGNDAUIXVQJOF-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.81
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 115937864) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID115937864
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccc(Br)n2)n1
InChIInChI=1S/C15H13BrN4O/c1-10-18-15(21-20-10)12-6-2-3-7-13(12)17-9-11-5-4-8-14(16)19-11/h2-8,17H,9H2,1H3
InChIKeyAMGNDAUIXVQJOF-UHFFFAOYSA-N
XLogP3.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
N-[(4-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678190
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755941
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
CID 43678229
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328746
N-[(1-ethylpyrrol-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 66400103
N-[(6-bromo-2-pyridinyl)methyl]-2-methylsulfanylaniline
CID 112581978
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 115937864) is N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccccc2NCc2cccc(Br)n2)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is AMGNDAUIXVQJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10-18-15(21-20-10)12-6-2-3-7-13(12)17-9-11-5-4-8-14(16)19-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 345.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 115937864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).